SCHEMBL503750

SCHEMBL503750

C=CC(=C)CN(CCC)CCC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL609665 0.86 CA12 (0.34) TSHRZDHHC20ZDHHC2CA12CA9
SCHEMBL503741 0.80 ALDH1A1 (0.34) TSHR
SCHEMBL611312 0.79 TSHR (0.40) TSHR
SCHEMBL19147693 0.76 CYP1A2 (0.35) TSHRZDHHC20ZDHHC2CA12CA9
Water SCHEMBL31456210 0.74
SCHEMBL19315834 0.72 CYP1A2 (0.54) TSHRCA12CA2CA9
SCHEMBL13941794 0.71 KDM4C (0.33) TSHRZDHHC20ZDHHC2
SCHEMBL24924139 0.70 CYP1A2 (0.52) TSHRCA12CA2CA9
Hydrochloric Acid SCHEMBL22771797 0.70 CYP1A2 (0.52) TSHRCA12CA2CA9
SCHEMBL609861 0.70 MEN1 (0.31) TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151673-A1 Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation SHEARES VALERIE V (US) 2002-10-17 US claimed
US-6100373-A Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2000-08-08 US claimed
US-12378327-B2 Method of making a silica/cellulose hybrid THE GOODYEAR TIRE & RUBBER COMPANY (US) 2025-08-05 US disclosed
US-11912798-B2 Rubber with backbone and end-group functionalization THE GOODYEAR TIRE & RUBBER COMPANY (US) 2024-02-27 US disclosed
US-20220177610-A1 RUBBER WITH BACKBONE AND END-GROUP FUNCTIONALIZATION MIZUHO BANK, LTD., AS ADMINISTRATIVE AGENT 2022-06-09 US disclosed
US-20220169752-A1 METHOD OF MAKING A SILICA/CELLULOSE HYBRID THE GOODYEAR TIRE & RUBBER COMPANY 2022-06-02 US disclosed
EP-3239183-B1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER SUMITOMO CHEMICAL CO (JP) 2020-03-11 EP disclosed
US-10118973-B2 Modified conjugated diene polymer, and polymer composition containing said polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-06 US disclosed
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-20170369599-A1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-28 US disclosed
EP-3239183-A1 MODIFIED CONJUGATED DIENE POLYMER, AND POLYMER COMPOSITION CONTAINING SAID POLYMER Sumitomo Chemical Company, Ltd. (JP) 2017-11-01 EP disclosed
US-20030134997-A1 Functionalized elastomers THE GOODYEAR TIRE & RUBBER COMPANY 2003-07-17 US disclosed
US-6583260-B2 Such as 2-(N,N-dimethylaminomethyl)-1,3- butadiene); for use in adhesives, sealants, surfactants, elastomers, ionomers, coatings and membranes IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2003-06-24 US disclosed
US-6583260-B2 Such as 2-(N,N-dimethylaminomethyl)-1,3- butadiene); for use in adhesives, sealants, surfactants, elastomers, ionomers, coatings and membranes IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2003-06-24 US disclosed
US-20020151673-A1 Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation SHEARES VALERIE V (US) 2002-10-17 US disclosed
US-20020151673-A1 Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation SHEARES VALERIE V (US) 2002-10-17 US disclosed
US-6344538-B1 REACTION OF 3-BROMOMETHYL-2,5-HYDROTHIOPHENE-1,1-DIOXIDE WITH NUCLEOPHILE WITH AMINE, HYDROXY, CARBOXY ACID, ESTER OR NITRILE IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2002-02-05 US disclosed
US-6344538-B1 REACTION OF 3-BROMOMETHYL-2,5-HYDROTHIOPHENE-1,1-DIOXIDE WITH NUCLEOPHILE WITH AMINE, HYDROXY, CARBOXY ACID, ESTER OR NITRILE IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2002-02-05 US disclosed
US-6100373-A Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2000-08-08 US disclosed
US-6100373-A Functionalized diene monomers and polymers containing functionalized dienes and methods for their preparation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2000-08-08 US disclosed